(2S)-1-(2-methyl-1H-indol-3-yl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-phenyl-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Formula: C27H28N3O+ MolecularWeight: 410.53072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C3=CC=CC=C3)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C3=CC=CC=C3)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O/c1-20-25(23-14-8-9-15-24(23)28-20)27(31)26(21-10-4-2-5-11-21)30-18-16-29(17-19-30)22-12-6-3-7-13-22/h2-15,26,28H,16-19H2,1H3/p+1/t26-/m0/s1